SCHEMBL6097722

SCHEMBL6097722

CNC(=N)c1cc(C)c2nc(-c3c(N[C@H](CO)Cc4cccnc4)cc[nH]c3=O)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.64
CYP3A4 P08684 5/20 0.64
CYP1A2 P05177 4/20 0.64
CYP2C9 P11712 4/20 0.64
CYP2C19 P33261 4/20 0.64
CYP2D6 P10635 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5136442 0.92 IGF1R (0.75) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6095472 0.91 IGF1R (0.65) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6097809 0.89 IGF1R (0.67) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5508365 0.88 IGF1R (0.69) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14510404 0.88 IGF1R (0.63) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6097760 0.88 IGF1R (0.63) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5513158 0.86 IGF1R (0.68) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6096299 0.85 IGF1R (0.65) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6096307 0.85 IGF1R (0.65) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5135215 0.84 IGF1R (0.73) IGF1RCYP3A4CYP1A2CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 US disclosed